![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 52R3Z
Calculation Name: 4ZXZ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4ZXZ
Chain ID: A
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 431 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7849434.39988 |
---|---|
FMO2-HF: Nuclear repulsion | 7680578.907824 |
FMO2-HF: Total energy | -168855.492056 |
FMO2-MP2: Total energy | -169341.854147 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026431/ligand_interaction/ligand_F026431.png)
Ligand Interaction
![ligand interaction](./Kdata/F026431/ligand_interaction/ligand_interaction_F026431.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:10:ASN)
Summations of interaction energy for
fragment #1(A:10:ASN)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-10.543 | -6.619 | 0.389 | -1.482 | -2.831 | 0.001 |
Interaction energy analysis for fragmet #1(A:10:ASN)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 12 | LEU | 0 | 0.004 | 0.013 | 3.834 | -0.813 | 0.490 | -0.015 | -0.557 | -0.731 | 0.002 |
4 | A | 13 | ASP | -1 | -0.890 | -0.935 | 6.615 | 0.522 | 0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 14 | PHE | 0 | -0.009 | -0.014 | 8.338 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 15 | THR | 0 | 0.022 | 0.012 | 11.669 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 16 | VAL | 0 | -0.033 | -0.010 | 14.819 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 17 | LEU | 0 | 0.007 | 0.008 | 17.385 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 18 | GLY | 0 | -0.007 | -0.001 | 21.160 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 19 | LEU | 0 | 0.013 | -0.006 | 23.013 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 20 | ASN | 0 | -0.009 | -0.027 | 26.529 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 21 | SER | 0 | 0.026 | 0.015 | 29.312 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 22 | GLY | 0 | 0.088 | 0.057 | 32.972 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 23 | THR | 0 | 0.009 | -0.018 | 35.091 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 24 | SER | 0 | -0.005 | -0.009 | 38.226 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 25 | MET | 0 | -0.063 | -0.001 | 37.712 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 26 | ASP | -1 | -0.880 | -0.952 | 38.399 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 27 | GLY | 0 | 0.018 | 0.012 | 36.683 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 28 | ILE | 0 | -0.060 | -0.013 | 30.960 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 29 | ASP | -1 | -0.847 | -0.925 | 30.228 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 30 | LEU | 0 | -0.036 | -0.039 | 26.973 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 31 | ALA | 0 | 0.003 | -0.008 | 24.359 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 32 | LEU | 0 | -0.008 | 0.009 | 19.989 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 33 | CYS | 0 | -0.046 | -0.029 | 18.790 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 34 | HIS | 0 | -0.032 | -0.031 | 11.595 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 35 | PHE | 0 | 0.008 | -0.005 | 12.868 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 36 | TYR | 0 | 0.021 | 0.006 | 6.778 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 37 | GLN | 0 | 0.060 | 0.028 | 8.836 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 38 | LYS | 1 | 0.956 | 0.984 | 6.294 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 39 | THR | 0 | -0.013 | -0.027 | 5.276 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 40 | PRO | 0 | 0.057 | 0.010 | 6.608 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 41 | ASP | -1 | -0.901 | -0.947 | 9.618 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 42 | ALA | 0 | -0.112 | -0.027 | 10.413 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 43 | PRO | 0 | 0.040 | 0.010 | 12.271 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 44 | MET | 0 | -0.034 | 0.015 | 12.251 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 45 | GLU | -1 | -0.942 | -0.975 | 12.345 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 46 | PHE | 0 | 0.046 | 0.008 | 14.805 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 47 | GLU | -1 | -0.846 | -0.919 | 17.555 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 48 | LEU | 0 | -0.025 | 0.003 | 19.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 49 | LEU | 0 | -0.046 | -0.033 | 18.051 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 50 | GLU | -1 | -0.888 | -0.944 | 22.448 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 51 | TYR | 0 | -0.017 | -0.019 | 25.160 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 52 | GLY | 0 | -0.028 | -0.018 | 27.869 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 53 | GLU | -1 | -0.922 | -0.944 | 30.855 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 54 | VAL | 0 | -0.029 | 0.001 | 32.793 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 55 | PRO | 0 | 0.042 | 0.009 | 35.076 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 56 | TRP | 0 | 0.014 | 0.008 | 34.852 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 57 | ALA | 0 | 0.008 | 0.007 | 39.087 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 58 | GLN | 0 | 0.051 | -0.002 | 41.290 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 59 | PRO | 0 | -0.030 | -0.011 | 43.765 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 60 | ILE | 0 | 0.052 | 0.018 | 39.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 61 | LYS | 1 | 0.939 | 0.987 | 41.543 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 62 | GLN | 0 | -0.005 | 0.001 | 42.425 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 63 | ARG | 1 | 0.725 | 0.819 | 43.462 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 64 | VAL | 0 | 0.012 | -0.001 | 39.320 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 65 | MET | 0 | -0.012 | -0.014 | 41.804 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 66 | ARG | 1 | 0.833 | 0.907 | 44.663 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 67 | MET | 0 | -0.008 | -0.004 | 41.107 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 68 | ILE | 0 | -0.003 | 0.001 | 40.398 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 69 | GLN | 0 | -0.058 | -0.017 | 44.603 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 70 | GLU | -1 | -0.901 | -0.950 | 48.068 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 71 | ASP | -1 | -0.974 | -0.967 | 45.839 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 72 | THR | 0 | 0.002 | 0.003 | 47.370 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 73 | THR | 0 | 0.003 | -0.002 | 44.316 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 74 | SER | 0 | -0.011 | 0.002 | 47.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 75 | LEU | 0 | 0.052 | 0.008 | 43.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 76 | SER | 0 | 0.004 | -0.001 | 43.069 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 77 | GLU | -1 | -0.784 | -0.848 | 43.464 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 78 | LEU | 0 | 0.020 | 0.013 | 40.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 79 | SER | 0 | -0.049 | -0.025 | 38.959 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 80 | GLU | -1 | -0.845 | -0.922 | 38.549 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 81 | VAL | 0 | -0.008 | -0.010 | 38.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 82 | ASN | 0 | -0.004 | -0.016 | 33.046 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 83 | VAL | 0 | 0.019 | 0.009 | 34.448 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 84 | ILE | 0 | 0.020 | 0.012 | 34.992 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 85 | LEU | 0 | -0.014 | 0.000 | 34.335 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 86 | GLY | 0 | 0.015 | 0.009 | 31.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 87 | GLU | -1 | -0.820 | -0.896 | 31.468 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 88 | THR | 0 | -0.030 | -0.010 | 33.431 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 89 | PHE | 0 | -0.004 | -0.009 | 29.295 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 90 | ALA | 0 | -0.008 | -0.004 | 28.875 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 91 | ASP | -1 | -0.903 | -0.952 | 29.935 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 92 | ALA | 0 | -0.033 | -0.015 | 31.020 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 93 | VAL | 0 | -0.018 | -0.008 | 25.401 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 94 | HIS | 0 | -0.008 | -0.013 | 28.250 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 95 | GLN | 0 | -0.054 | -0.019 | 30.045 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 96 | PHE | 0 | 0.010 | 0.004 | 25.512 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 97 | ALA | 0 | 0.008 | -0.002 | 26.229 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 98 | ALA | 0 | -0.010 | 0.008 | 27.896 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 99 | GLU | -1 | -0.953 | -0.984 | 31.072 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 100 | ARG | 1 | 0.836 | 0.926 | 27.863 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 101 | ASN | 0 | -0.088 | -0.039 | 27.876 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 102 | VAL | 0 | -0.010 | -0.001 | 22.547 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 103 | ASP | -1 | -0.820 | -0.899 | 21.945 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 104 | LEU | 0 | 0.061 | 0.034 | 21.704 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 105 | SER | 0 | -0.102 | -0.053 | 19.906 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 106 | THR | 0 | -0.096 | -0.079 | 17.154 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 107 | ILE | 0 | -0.024 | -0.001 | 16.629 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 108 | ASP | -1 | -0.855 | -0.928 | 12.905 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 109 | ALA | 0 | -0.018 | -0.013 | 15.229 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 110 | ILE | 0 | 0.028 | 0.026 | 17.247 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 111 | GLY | 0 | 0.010 | 0.009 | 20.623 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 112 | SER | 0 | -0.035 | -0.021 | 21.401 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 113 | HIS | 0 | 0.019 | 0.014 | 25.113 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 114 | GLY | 0 | -0.003 | 0.013 | 27.368 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 115 | GLN | 0 | 0.031 | 0.013 | 30.247 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 116 | THR | 0 | -0.034 | -0.029 | 33.261 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 117 | ILE | 0 | -0.060 | -0.027 | 35.264 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 118 | TRP | 0 | 0.029 | -0.003 | 37.263 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 119 | LEU | 0 | 0.022 | 0.011 | 34.371 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 120 | ASN | 0 | -0.011 | 0.013 | 37.652 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 121 | SER | 0 | 0.027 | -0.024 | 36.006 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 122 | MET | 0 | -0.063 | -0.015 | 37.647 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 123 | PRO | 0 | -0.045 | -0.008 | 39.817 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 124 | GLU | -1 | -0.861 | -0.920 | 42.874 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 125 | GLU | -1 | -0.948 | -0.989 | 45.458 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 126 | GLY | 0 | -0.048 | -0.026 | 46.388 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 127 | GLN | 0 | -0.045 | -0.019 | 43.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 128 | VAL | 0 | -0.016 | -0.007 | 38.911 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 129 | LYS | 1 | 0.876 | 0.956 | 34.217 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 130 | SER | 0 | -0.050 | -0.022 | 35.322 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 131 | CYS | 0 | 0.036 | 0.003 | 32.669 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 132 | LEU | 0 | -0.035 | -0.004 | 34.333 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 133 | THR | 0 | -0.002 | -0.009 | 30.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 134 | MET | 0 | -0.034 | 0.012 | 31.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 135 | GLY | 0 | 0.057 | 0.015 | 31.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 136 | GLU | -1 | -0.909 | -0.933 | 29.519 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 137 | GLY | 0 | 0.094 | 0.038 | 26.197 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 138 | ALA | 0 | -0.010 | -0.007 | 26.092 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 139 | ILE | 0 | -0.032 | -0.008 | 27.543 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 140 | ILE | 0 | 0.038 | 0.021 | 25.171 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 141 | ALA | 0 | 0.022 | 0.020 | 23.236 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 142 | ALA | 0 | -0.076 | -0.039 | 24.713 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 143 | ARG | 1 | 0.778 | 0.854 | 27.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 144 | THR | 0 | 0.012 | 0.010 | 24.456 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 145 | GLY | 0 | -0.008 | 0.000 | 23.786 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 146 | ILE | 0 | -0.005 | 0.011 | 18.789 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 147 | THR | 0 | -0.010 | -0.030 | 16.787 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 148 | THR | 0 | -0.017 | -0.003 | 19.141 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 149 | ILE | 0 | -0.034 | -0.009 | 16.846 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 150 | THR | 0 | 0.044 | 0.022 | 20.984 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 151 | ASP | -1 | -0.808 | -0.908 | 24.033 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 152 | PHE | 0 | 0.025 | -0.007 | 20.353 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 153 | ARG | 1 | 0.891 | 0.919 | 25.275 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 154 | ILE | 0 | 0.040 | 0.012 | 28.283 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 155 | SER | 0 | 0.011 | 0.028 | 24.364 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 156 | ASP | -1 | -0.803 | -0.902 | 26.437 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 157 | ILE | 0 | 0.007 | 0.005 | 27.531 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 158 | ALA | 0 | -0.055 | -0.019 | 27.883 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 159 | ALA | 0 | -0.045 | -0.018 | 26.255 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 160 | GLY | 0 | -0.022 | -0.012 | 28.225 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 161 | ARG | 1 | 0.775 | 0.889 | 25.044 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 162 | GLN | 0 | 0.015 | -0.012 | 31.722 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 163 | GLY | 0 | 0.019 | 0.029 | 29.933 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 164 | ALA | 0 | -0.045 | -0.005 | 30.655 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 165 | PRO | 0 | 0.073 | 0.038 | 31.610 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 166 | LEU | 0 | -0.076 | -0.038 | 26.117 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 167 | HIS | 0 | 0.041 | 0.041 | 26.856 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 168 | ALA | 0 | 0.028 | 0.013 | 27.143 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 169 | PHE | 0 | -0.015 | -0.011 | 20.361 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 170 | PHE | 0 | 0.032 | 0.015 | 21.458 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 171 | ASP | -1 | -0.734 | -0.857 | 24.113 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 172 | ALA | 0 | 0.021 | 0.009 | 25.863 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 173 | LEU | 0 | -0.039 | -0.023 | 19.783 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 174 | LEU | 0 | -0.022 | -0.016 | 23.434 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 175 | LEU | 0 | -0.012 | -0.006 | 24.979 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 176 | HIS | 1 | 0.742 | 0.857 | 23.105 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 177 | HIS | 0 | 0.050 | 0.049 | 27.503 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 178 | PRO | 0 | 0.018 | 0.004 | 28.619 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 179 | THR | 0 | -0.070 | -0.056 | 30.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 180 | LYS | 1 | 0.845 | 0.927 | 33.951 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 181 | LEU | 0 | -0.028 | 0.006 | 34.233 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 182 | ARG | 1 | 0.747 | 0.846 | 30.059 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 183 | ALA | 0 | 0.014 | 0.015 | 34.899 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 184 | CYS | 0 | -0.079 | -0.022 | 30.840 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 185 | GLN | 0 | 0.061 | 0.068 | 34.047 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 186 | ASN | 0 | -0.006 | -0.041 | 33.683 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 187 | ILE | 0 | -0.023 | -0.009 | 35.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 188 | GLY | 0 | 0.069 | 0.048 | 37.246 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 189 | GLY | 0 | 0.036 | 0.020 | 38.146 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 190 | ILE | 0 | -0.021 | -0.015 | 37.962 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 191 | ALA | 0 | 0.007 | 0.002 | 38.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 192 | ASN | 0 | 0.030 | 0.040 | 32.807 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 193 | VAL | 0 | -0.031 | 0.000 | 35.846 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 194 | THR | 0 | -0.015 | -0.031 | 30.051 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 195 | PHE | 0 | -0.028 | -0.024 | 33.345 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 196 | ILE | 0 | -0.013 | -0.030 | 29.551 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 197 | PRO | 0 | -0.016 | -0.009 | 32.203 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 198 | PRO | 0 | 0.022 | 0.018 | 31.790 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 199 | ASP | -1 | -0.849 | -0.898 | 27.499 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 200 | VAL | 0 | 0.000 | -0.006 | 28.986 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 201 | ASP | -1 | -0.947 | -0.973 | 28.324 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 202 | GLY | 0 | -0.068 | -0.038 | 26.560 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 203 | ARG | 1 | 0.900 | 0.955 | 19.623 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 204 | LEU | 0 | 0.047 | 0.031 | 23.348 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 205 | THR | 0 | 0.006 | 0.018 | 25.831 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 206 | ASP | -1 | -0.877 | -0.952 | 26.479 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 207 | GLU | -1 | -0.975 | -1.005 | 28.559 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 208 | TYR | 0 | -0.011 | 0.003 | 24.584 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 209 | TYR | 0 | -0.098 | -0.102 | 31.074 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 210 | ASP | -1 | -0.791 | -0.915 | 30.696 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 211 | PHE | 0 | -0.031 | -0.017 | 33.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 212 | ASP | -1 | -0.781 | -0.892 | 36.032 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 213 | THR | 0 | -0.016 | -0.020 | 38.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 214 | GLY | 0 | 0.008 | -0.001 | 41.222 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 215 | PRO | 0 | -0.030 | 0.000 | 41.848 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 216 | GLY | 0 | 0.051 | 0.026 | 41.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 217 | THR | 0 | -0.005 | -0.001 | 42.300 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 218 | VAL | 0 | -0.011 | 0.007 | 43.039 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 219 | MET | 0 | -0.022 | -0.014 | 44.761 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 220 | ILE | 0 | 0.021 | 0.018 | 46.836 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 221 | ASP | -1 | -0.825 | -0.927 | 44.379 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 222 | ALA | 0 | -0.060 | -0.026 | 48.031 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 223 | VAL | 0 | -0.006 | -0.005 | 50.081 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 224 | VAL | 0 | 0.014 | -0.002 | 50.683 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 225 | ARG | 1 | 0.917 | 0.981 | 46.588 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 226 | HIS | 0 | -0.049 | -0.025 | 52.177 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 227 | PHE | 0 | -0.023 | -0.019 | 55.360 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 228 | THR | 0 | 0.008 | -0.008 | 54.134 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 229 | ASN | 0 | -0.080 | -0.042 | 56.490 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 230 | GLY | 0 | 0.011 | 0.008 | 52.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 231 | GLU | -1 | -1.006 | -0.983 | 51.602 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 232 | GLN | 0 | -0.036 | -0.018 | 50.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 233 | GLU | -1 | -0.881 | -0.960 | 45.169 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 234 | TYR | 0 | 0.011 | 0.005 | 44.748 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 235 | ASP | -1 | -0.784 | -0.894 | 47.675 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 236 | LYS | 1 | 0.931 | 0.976 | 47.344 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 237 | ASP | -1 | -0.897 | -0.959 | 47.207 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 238 | GLY | 0 | -0.050 | -0.021 | 48.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 239 | GLU | -1 | -0.918 | -0.957 | 50.539 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 240 | MET | 0 | -0.047 | -0.040 | 53.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 241 | GLY | 0 | -0.027 | -0.022 | 53.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 242 | LYS | 1 | 0.939 | 0.973 | 52.729 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 243 | ARG | 1 | 0.763 | 0.882 | 55.889 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 244 | GLY | 0 | -0.006 | 0.025 | 58.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 245 | LYS | 1 | 0.870 | 0.911 | 59.255 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 246 | VAL | 0 | -0.005 | -0.006 | 56.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 247 | ASP | -1 | -0.794 | -0.899 | 58.887 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 248 | GLN | 0 | -0.041 | -0.052 | 56.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 249 | GLU | -1 | -0.952 | -0.962 | 58.966 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 250 | LEU | 0 | -0.009 | -0.015 | 58.290 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 251 | VAL | 0 | -0.029 | 0.002 | 53.619 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 252 | ASP | -1 | -0.854 | -0.933 | 54.986 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 253 | ASP | -1 | -1.059 | -1.021 | 56.569 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 254 | PHE | 0 | 0.066 | 0.021 | 49.732 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 255 | LEU | 0 | -0.041 | -0.019 | 50.063 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 256 | LYS | 1 | 0.931 | 0.964 | 52.223 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 257 | HIS | 0 | -0.010 | 0.011 | 48.154 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 258 | PRO | 0 | 0.039 | 0.001 | 49.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 259 | TYR | 0 | 0.042 | 0.000 | 40.447 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 260 | PHE | 0 | -0.007 | -0.011 | 45.714 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 261 | GLN | 0 | -0.054 | -0.033 | 47.391 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 262 | LEU | 0 | -0.030 | 0.010 | 43.781 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 263 | ASP | -1 | -0.884 | -0.934 | 42.773 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 264 | PRO | 0 | -0.055 | -0.011 | 38.010 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 265 | PRO | 0 | -0.014 | 0.000 | 35.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 266 | LYS | 1 | 0.823 | 0.894 | 37.367 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 267 | THR | 0 | 0.038 | 0.023 | 34.625 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 268 | CYS | 0 | -0.050 | -0.017 | 38.024 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 269 | GLY | 0 | 0.079 | 0.028 | 38.431 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 270 | ARG | 1 | 0.854 | 0.911 | 40.186 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 271 | GLU | -1 | -0.838 | -0.916 | 41.268 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 272 | VAL | 0 | -0.031 | -0.008 | 43.421 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 273 | PHE | 0 | -0.047 | -0.029 | 44.057 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 274 | ARG | 1 | 0.963 | 1.002 | 46.504 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 275 | ASP | -1 | -0.806 | -0.937 | 47.678 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 276 | SER | 0 | -0.002 | -0.010 | 49.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 277 | LEU | 0 | 0.008 | 0.013 | 49.681 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 278 | ALA | 0 | 0.014 | 0.007 | 51.018 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 279 | HIS | 0 | 0.029 | 0.013 | 53.015 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 280 | ASP | -1 | -0.929 | -0.968 | 55.997 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 281 | LEU | 0 | -0.059 | -0.028 | 54.198 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 282 | ILE | 0 | 0.053 | 0.028 | 55.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 283 | ARG | 1 | 0.933 | 0.981 | 58.728 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 284 | ARG | 1 | 0.916 | 0.944 | 58.199 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 285 | ALA | 0 | 0.028 | 0.019 | 60.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 286 | GLU | -1 | -0.901 | -0.953 | 62.124 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 287 | ALA | 0 | -0.094 | -0.041 | 64.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 288 | LYS | 1 | 0.824 | 0.915 | 63.674 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 289 | GLY | 0 | -0.039 | -0.016 | 67.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 290 | LEU | 0 | -0.062 | -0.018 | 60.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 291 | SER | 0 | -0.034 | -0.012 | 63.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 292 | PRO | 0 | 0.068 | 0.010 | 59.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 293 | ASP | -1 | -0.756 | -0.860 | 58.067 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 294 | ASP | -1 | -0.768 | -0.874 | 57.888 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 295 | ILE | 0 | -0.046 | -0.002 | 56.517 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 296 | VAL | 0 | 0.023 | 0.010 | 52.612 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 297 | ALA | 0 | 0.016 | 0.014 | 53.478 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 298 | THR | 0 | -0.025 | -0.030 | 54.161 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 299 | VAL | 0 | -0.006 | -0.009 | 50.454 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 300 | THR | 0 | -0.025 | -0.017 | 49.037 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 301 | ARG | 1 | 0.944 | 0.963 | 49.519 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 302 | ILE | 0 | -0.006 | 0.022 | 49.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 303 | THR | 0 | -0.021 | -0.014 | 44.622 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 304 | ALA | 0 | -0.014 | -0.009 | 46.348 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 305 | GLN | 0 | -0.008 | -0.009 | 47.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 306 | SER | 0 | -0.013 | -0.002 | 46.328 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 307 | ILE | 0 | -0.020 | -0.005 | 42.028 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 308 | VAL | 0 | 0.009 | -0.003 | 44.367 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 309 | ASP | -1 | -0.903 | -0.967 | 46.727 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 310 | ALA | 0 | -0.032 | -0.008 | 42.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 311 | TYR | 0 | -0.034 | -0.057 | 39.838 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 312 | ARG | 1 | 0.935 | 0.969 | 43.691 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 313 | ARG | 1 | 0.852 | 0.936 | 46.369 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 314 | TYR | 0 | -0.004 | -0.002 | 41.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 315 | ALA | 0 | 0.000 | 0.058 | 40.225 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 316 | PRO | 0 | -0.041 | -0.015 | 37.227 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 317 | SER | 0 | 0.016 | -0.003 | 40.119 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 318 | GLN | 0 | 0.012 | 0.005 | 42.613 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 319 | GLU | -1 | -0.957 | -0.972 | 43.212 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 320 | ILE | 0 | -0.008 | 0.002 | 39.083 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 321 | ASP | -1 | -0.826 | -0.882 | 38.014 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 322 | GLU | -1 | -0.789 | -0.891 | 35.116 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 323 | ILE | 0 | 0.027 | 0.017 | 37.237 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 324 | PHE | 0 | -0.019 | -0.024 | 33.582 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 325 | LEU | 0 | 0.010 | 0.000 | 35.734 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 326 | CYS | 0 | -0.032 | -0.022 | 33.179 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 327 | GLY | 0 | 0.118 | 0.065 | 34.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 328 | GLY | 0 | 0.027 | 0.003 | 36.228 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 329 | GLY | 0 | 0.034 | -0.005 | 39.286 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 330 | ALA | 0 | -0.042 | -0.013 | 38.756 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 331 | TYR | 0 | -0.026 | -0.014 | 37.224 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 332 | ASN | 0 | 0.035 | 0.014 | 42.976 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 333 | PRO | 0 | 0.044 | 0.020 | 46.058 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 334 | ASN | 0 | -0.020 | -0.009 | 48.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 335 | ILE | 0 | -0.044 | -0.015 | 44.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 336 | VAL | 0 | 0.032 | 0.010 | 43.337 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 337 | GLU | -1 | -0.928 | -0.969 | 45.856 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 338 | PHE | 0 | -0.044 | -0.016 | 49.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 339 | ILE | 0 | 0.016 | -0.005 | 43.153 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 340 | GLN | 0 | -0.031 | -0.022 | 45.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 341 | GLN | 0 | -0.073 | -0.041 | 47.587 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 342 | ALA | 0 | -0.077 | -0.027 | 48.508 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 343 | TYR | 0 | -0.018 | -0.020 | 45.494 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 344 | PRO | 0 | -0.009 | 0.013 | 46.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 345 | ASN | 0 | -0.036 | -0.039 | 46.753 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 346 | THR | 0 | -0.008 | -0.006 | 41.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 347 | LYS | 1 | 0.939 | 0.974 | 39.713 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 348 | ILE | 0 | 0.030 | 0.015 | 40.155 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 349 | MET | 0 | -0.080 | -0.024 | 36.376 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 350 | MET | 0 | 0.043 | 0.034 | 36.183 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 351 | LEU | 0 | 0.033 | -0.004 | 29.097 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 352 | ASP | -1 | -0.846 | -0.925 | 31.481 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 353 | GLU | -1 | -0.953 | -0.969 | 31.652 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 354 | ALA | 0 | -0.062 | -0.030 | 29.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 355 | GLY | 0 | -0.024 | -0.017 | 27.298 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 356 | ILE | 0 | -0.059 | -0.030 | 23.898 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 357 | PRO | 0 | 0.010 | 0.008 | 27.665 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 358 | ALA | 0 | 0.021 | 0.004 | 30.177 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 359 | ARG | 1 | 0.936 | 0.957 | 32.235 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 360 | ALA | 0 | 0.026 | 0.028 | 27.405 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 361 | LYS | 1 | 0.827 | 0.912 | 27.208 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 362 | GLU | -1 | -0.871 | -0.950 | 26.505 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 363 | ALA | 0 | 0.019 | 0.023 | 26.290 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 364 | ILE | 0 | 0.001 | -0.011 | 21.797 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 365 | THR | 0 | -0.065 | -0.027 | 21.801 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 366 | PHE | 0 | 0.051 | 0.012 | 21.856 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 367 | ALA | 0 | 0.046 | 0.021 | 19.506 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 368 | TRP | 0 | -0.066 | -0.044 | 17.184 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 369 | LEU | 0 | -0.009 | -0.012 | 17.089 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 370 | GLY | 0 | 0.024 | 0.004 | 17.877 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 371 | MET | 0 | -0.030 | -0.005 | 12.241 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 372 | GLU | -1 | -0.750 | -0.867 | 12.931 | -0.843 | -0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 373 | CYS | 0 | -0.063 | -0.027 | 14.152 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 374 | LEU | 0 | -0.056 | -0.024 | 11.489 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 375 | VAL | 0 | -0.040 | -0.025 | 8.215 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 376 | GLY | 0 | -0.047 | 0.005 | 10.438 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 377 | ARG | 1 | 0.780 | 0.871 | 11.169 | 0.968 | 0.968 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 378 | SER | 0 | -0.027 | -0.027 | 14.522 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 379 | ILE | 0 | 0.002 | 0.008 | 17.770 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 380 | PRO | 0 | 0.013 | 0.010 | 19.142 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 381 | VAL | 0 | -0.014 | 0.005 | 21.744 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 382 | PRO | 0 | 0.044 | 0.040 | 25.127 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 383 | SER | 0 | 0.015 | 0.003 | 28.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 384 | ARG | 1 | 0.932 | 0.951 | 31.246 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 385 | VAL | 0 | 0.016 | 0.019 | 29.702 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 386 | GLU | -1 | -0.835 | -0.918 | 33.140 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 387 | THR | 0 | -0.015 | -0.013 | 29.666 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 388 | ARG | 1 | 0.866 | 0.923 | 26.901 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 389 | GLN | 0 | -0.033 | 0.000 | 25.346 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 390 | GLY | 0 | 0.067 | 0.038 | 21.363 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 391 | TYR | 0 | -0.020 | -0.029 | 21.652 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 392 | VAL | 0 | -0.007 | 0.012 | 16.635 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 393 | LEU | 0 | -0.023 | -0.017 | 19.353 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 394 | GLY | 0 | 0.021 | 0.003 | 20.238 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 395 | LYS | 1 | 0.829 | 0.918 | 21.799 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 396 | ILE | 0 | 0.017 | -0.002 | 16.508 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 397 | SER | 0 | -0.011 | -0.001 | 20.345 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 398 | PRO | 0 | -0.053 | -0.039 | 19.549 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 399 | GLY | 0 | 0.100 | 0.061 | 19.446 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 400 | LEU | 0 | -0.044 | -0.039 | 20.163 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 401 | ASN | 0 | -0.009 | 0.007 | 15.738 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 402 | TYR | 0 | 0.018 | 0.029 | 15.046 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 403 | ARG | 1 | 0.988 | 0.964 | 14.352 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 404 | SER | 0 | -0.040 | -0.022 | 11.598 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 405 | VAL | 0 | 0.078 | 0.042 | 10.226 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 406 | MET | 0 | 0.021 | 0.016 | 9.861 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 407 | LYS | 1 | 0.863 | 0.932 | 8.328 | -0.804 | -0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 408 | LYS | 1 | 0.885 | 0.957 | 5.499 | -0.604 | -0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 409 | GLY | 0 | 0.016 | 0.020 | 5.118 | -1.142 | -1.094 | -0.001 | 0.000 | -0.047 | 0.000 |
401 | A | 410 | MET | 0 | -0.028 | -0.034 | 6.999 | -0.453 | -0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 411 | ALA | 0 | -0.021 | 0.006 | 3.054 | -1.108 | -0.122 | 0.317 | -0.327 | -0.976 | 0.002 |
403 | A | 412 | PHE | 0 | -0.035 | -0.002 | 3.334 | -5.111 | -3.800 | 0.090 | -0.580 | -0.821 | -0.003 |
404 | A | 413 | GLY | 0 | 0.027 | 0.004 | 4.116 | 1.037 | 1.206 | 0.000 | -0.008 | -0.161 | 0.000 |
405 | A | 414 | GLY | 0 | -0.064 | -0.028 | 4.497 | 0.781 | 0.835 | -0.001 | -0.010 | -0.043 | 0.000 |
406 | A | 415 | ASP | -1 | -0.918 | -0.963 | 5.322 | -1.564 | -1.511 | -0.001 | 0.000 | -0.052 | 0.000 |
407 | A | 416 | ALA | 0 | -0.081 | -0.025 | 8.741 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 417 | GLN | 0 | -0.013 | -0.019 | 10.847 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 418 | GLN | 0 | -0.007 | -0.002 | 13.625 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 419 | LEU | 0 | 0.011 | 0.008 | 9.086 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 420 | PRO | 0 | -0.012 | 0.004 | 12.227 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 421 | PRO | 0 | 0.034 | 0.002 | 14.374 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 422 | VAL | 0 | 0.010 | 0.012 | 14.237 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 423 | SER | 0 | -0.023 | -0.019 | 16.453 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 424 | GLU | -1 | -0.812 | -0.896 | 17.744 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 425 | MET | 0 | -0.038 | -0.003 | 17.255 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 426 | ILE | 0 | -0.036 | -0.005 | 16.089 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 427 | VAL | 0 | 0.064 | 0.039 | 18.471 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 428 | LYS | 1 | 0.865 | 0.929 | 15.473 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 429 | LYS | 1 | 0.941 | 0.971 | 20.583 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 430 | LYS | 1 | 0.946 | 0.961 | 22.075 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 431 | GLY | 0 | -0.010 | -0.012 | 19.178 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 432 | LYS | 1 | 0.857 | 0.936 | 20.067 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 433 | VAL | 0 | 0.024 | 0.006 | 19.620 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 434 | ILE | 0 | -0.016 | -0.004 | 22.110 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 435 | THR | 0 | 0.003 | 0.003 | 24.271 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 436 | ASN | 0 | 0.057 | 0.027 | 26.169 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 437 | ASN | 0 | 0.013 | 0.011 | 26.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 438 | TRP | 0 | -0.082 | -0.052 | 29.330 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 439 | ASP | -1 | -0.862 | -0.938 | 32.606 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 440 | LEU | 0 | -0.033 | -0.001 | 30.204 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |